Summary

IMPPAT Phytochemical identifier: IMPHY008822

Phytochemical name: (16E)-1,6-dihydroxy-8-(3-hydroxy-3-methylbut-1-enyl)-3,7-dimethoxy-2-(3-methylbut-2-enyl)-xanthone

Synonymous chemical names:
(16e)-1,6-dihydroxy-8-(3-hydroxy-3-methylbut-1-enyl)-3,7-dimethoxy-2-(3-methylbut-2-enyl)-xanthone

Chemical structure information

SMILES:
COc1cc2oc3cc(O)c(c(c3c(=O)c2c(c1CC=C(C)C)O)/C=C/C(O)(C)C)OC

InChI:
InChI=1S/C25H28O7/c1-13(2)7-8-14-17(30-5)12-19-21(22(14)27)23(28)20-15(9-10-25(3,4)29)24(31-6)16(26)11-18(20)32-19/h7,9-12,26-27,29H,8H2,1-6H3/b10-9+

InChIKey:
QXRLQTRFEMAPRP-MDZDMXLPSA-N

DeepSMILES:
COcccocccO)ccc6c=O)c%10cc%14CC=CC)C)))))O)))))/C=C/CO)C)C)))))OC

Functional groups:
CC=C(C)C, CO, c/C=C/C, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 2.155

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Chemical structure download